methyl 2-[(3S,7R)-3-azanyl-7-(cyclopropylmethyl)-2-oxidanylidene-azepan-1-yl]ethanoate

Systemtic Name: methyl 2-[(3S,7R)-3-azanyl-7-(cyclopropylmethyl)-2-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: methyl 2-[(3S,7R)-3-amino-7-(cyclopropylmethyl)-2-oxo-azepan-1-yl]acetate CAS Name: 2-[(3S,7R)-3-amino-7-(cyclopropylmethyl)-2-oxo-1-azepanyl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S,7R)-3-amino-7-(cyclopropylmethyl)-2-oxoazepan-1-yl]acetate Traditional Name: 2-[(3S,7R)-3-amino-7-(cyclopropylmethyl)-2-keto-azepan-1-yl]acetic acid methyl ester Formula: C13H22N2O3 MolecularWeight: 254.32538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(CCCC(C1=O)N)CC2CC2

Isomeric SMILES

COC(=O)CN1[C@H](CCC[C@@H](C1=O)N)CC2CC2

InChI

InChI=1S/C13H22N2O3/c1-18-12(16)8-15-10(7-9-5-6-9)3-2-4-11(14)13(15)17/h9-11H,2-8,14H2,1H3/t10-,11+/m1/s1